2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C18H24N2O3 — CID 24533965

IUPAC2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Oc1ccc(C(C)CC)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H24N2O3/c1-5-12(3)14-7-9-15(10-8-14)22-16(6-2)18(21)19-17-11-13(4)23-20-17/h7-12,16H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyIHXYRMSTOOBINL-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.29
Rot. Bonds7

About 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 24533965) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID24533965
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Oc1ccc(C(C)CC)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H24N2O3/c1-5-12(3)14-7-9-15(10-8-14)22-16(6-2)18(21)19-17-11-13(4)23-20-17/h7-12,16H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyIHXYRMSTOOBINL-UHFFFAOYSA-N
XLogP4.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18097207
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 95354548
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40810164
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide
CID 46650326
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 3163982
2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 17430036
4-methoxy-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 18103303

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 24533965) is 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Oc1ccc(C(C)CC)cc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is IHXYRMSTOOBINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-12(3)14-7-9-15(10-8-14)22-16(6-2)18(21)19-17-11-13(4)23-20-17/h7-12,16H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 316.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 24533965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).